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Molecule
Dichlorprop
CAS: 120-36-5 · C9H8Cl2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 120-36-5
- Molecular Formula
- C9H8Cl2O3
- Molecular Mass
- 235.07 g/mol
Identifiers
CAS Registry Number
120-36-5
SMILES
CC(Oc1ccc(Cl)cc1Cl)C(=O)O
InChI Key
MZHCENGPTKEIGP-UHFFFAOYSA-N
InChI
InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
Names and Synonyms
- Dichlorprop Synonym
- 2,4-DP Synonym
- Propanoic acid, 2-(2,4-dichlorophenoxy)- Synonym
- Propionic acid, 2-(2,4-dichlorophenoxy)- Synonym
- 2-(2,4-Dichlorophenoxy)propanoic acid Synonym
- Cornox RK Synonym
- 2-(2,4-Dichlorophenoxy)propionic acid Synonym
- Dichloroprop Synonym
- Dichlorprop Synonym
- 2-(2,4-DP) Synonym
- α-(2,4-Dichlorophenoxy)propionic acid Synonym
- Hedonal DP Synonym
- Celatox DP Synonym
- Herbizid DP Synonym
- U 46DP Fluid Synonym
- Diprop Synonym
- Canapur DP Synonym
- Dichlorprop acid Synonym
- DCP Synonym
- AF 302 Synonym
- (±)-2-(2,4-Dichlorophenoxy)propanoic acid Synonym
- (±)-2-(2,4-Dichlorophenoxy)propionic acid Synonym
- (±)-2,4-DP Synonym
- (±)-Dichlorprop Synonym
- NSC 39624 Synonym
- Dicopur DP Synonym
- 2,4-DCPPA Synonym
- 2,4-Dichlorprop Synonym
- 2,4-Dichlorophenoxypropionic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 235.07 g/mol | CAS Common Chemistry |
| 235.06599999999997 g/mol | RDKit | |
| 235.066 g/mol | RDKit | |
| 235.06 g/mol | chempirical lib | |
| Density | 1.42 g/cm³ | CAS Common Chemistry |
| 1.42 g/cm3 (approx) | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dichlorprop | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(OC1=CC=C(Cl)C=C1Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=MZHCENGPTKEIGP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 117.5-118.1 °C | CAS Common Chemistry |
| Name | Dichlorprop | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 2.845300000000001 | RDKit |
| 2.8453 | RDKit | |
| Molar Refractivity | 54.18780000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 233.985049476 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 235.07 g/mol; density = 1.420 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H8Cl2O3.
